SCHEMBL5852074

SCHEMBL5852074

O=C(O)CSCCCCCOc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR2 Q92731 4/20 0.40
PLA2G4B P0C869 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5852077 0.86 ESR1 (0.52) ESR1EBPSIGMAR1ESR2HRH3
SCHEMBL5851836 0.85 ESR1 (0.52) ESR1HDAC1HDAC2EBPSIGMAR1
SCHEMBL5851849 0.83 ESR1 (0.55) ESR1EBPSIGMAR1ESR2HRH3
SCHEMBL5852021 0.82 ESR1 (0.45) ESR1HDAC1HDAC2EBPSIGMAR1
SCHEMBL5851981 0.81 ESR1 (0.53) ESR1EBPSIGMAR1ESR2HRH3
SCHEMBL8642477 0.79 ESR1 (0.47) ESR1HDAC1HDAC2ESR2PLA2G4B
SCHEMBL5853779 0.78 ESR1 (0.47) ESR1HDAC1HDAC2EBPSIGMAR1
SCHEMBL5852960 0.78 ESR1 (0.56) ESR1EBPSIGMAR1ESR2
SCHEMBL5851502 0.78 ESR1 (0.56) ESR1EBPSIGMAR1ESR2
SCHEMBL5851975 0.77 ESR1 (0.65) ESR1EBPSIGMAR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878750-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2005-04-12 US claimed
EP-1098874-B1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-06-18 EP claimed
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-03-13 US claimed
US-6495607-B2 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) SCHERING AG (DE) 2002-12-17 US claimed
US-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-06 US claimed
US-7145015-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2006-12-05 US disclosed
EP-1165061-B1 USE OF COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND PARTIAL ESTROGEN AGONISTS FOR TREATING OSTEOPOROSIS SCHERING AG (DE) 2005-10-19 EP disclosed
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed
US-6878750-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2005-04-12 US disclosed
EP-1098874-B1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-06-18 EP disclosed
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-03-13 US disclosed
US-6495607-B2 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) SCHERING AG (DE) 2002-12-17 US disclosed
US-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-06 US disclosed
EP-1165061-A2 COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND AN OESTROGENIC COMPONENT FOR TREATING OSTEOPOROSIS Schering Aktiengesellschaft (DE) 2002-01-02 EP disclosed
EP-1098874-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2001-05-16 EP disclosed
WO-2000061123-A2 COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND AN OESTROGENIC COMPONENT FOR TREATING OSTEOPOROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed
WO-2000003979-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS CYP19A1, ESRRA, SULT2A1 ESR1 36/4885HDAC1 1925/4885HDAC2 1311/4885
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESR2, ESRRA ESR1 8/4885HDAC1 1774/4885HDAC2 1476/4885
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESRRA, SULT2A1 ESR1 36/4885HDAC1 1925/4885HDAC2 1311/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.